Acetic acid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-


Chemical Name: Acetic acid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-
CAS Number: 84611-23-4
Product Number: AG003PY1(AGN-PC-05WHJ8)
Synonyms:
MDL No:
Molecular Formula: C8H11NO4S2
Molecular Weight: 249.3072

Identification/Properties


Properties
MP:
156-160°C
BP:
590.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
249.299g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
249.013g/mol
Monoisotopic Mass:
249.013g/mol
Topological Polar Surface Area:
134A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
282
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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